[(1S)-1-(3-nitrophenyl)ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H19N3O5/c1-13(14-6-5-7-15(12-14)23(26)27)28-19(24)11-10-18-21-17-9-4-3-8-16(17)20(25)22(18)2/h3-9,12-13H,10-11H2,1-2H3/t13-/m0/s1